CID 129516774

2117402-40-9

Structural Information

Molecular Formula
C13H19NO6
SMILES
CC(C)(C)OC(=O)N1CC2(CC1(C2)C(=O)OC)C(=O)O
InChI
InChI=1S/C13H19NO6/c1-11(2,3)20-10(18)14-7-12(8(15)16)5-13(14,6-12)9(17)19-4/h5-7H2,1-4H3,(H,15,16)
InChIKey
GSFAZRYNAIKACS-UHFFFAOYSA-N
Compound name
1-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.12125 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12853 179.5
[M+Na]+ 308.11047 183.6
[M-H]- 284.11397 177.7
[M+NH4]+ 303.15507 197.2
[M+K]+ 324.08441 186.4
[M+H-H2O]+ 268.11851 174.3
[M+HCOO]- 330.11945 190.0
[M+CH3COO]- 344.13510 200.0
[M+Na-2H]- 306.09592 183.5
[M]+ 285.12070 195.8
[M]- 285.12180 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.